SCHEMBL7764655

SCHEMBL7764655

COc1ccc(C(O)(C[C@@H](C)C(N)(Oc2ccccc2)C(C)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.45
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.37
AOC3 Q16853 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7770270 0.89 KIF11 (0.41) KIF11KCNH2AOC3
SCHEMBL7772520 0.89 KIF11 (0.43) KIF11LMNAHTTSMN1; SMN2KMT2A
SCHEMBL7772503 0.85 KIF11 (0.39) KIF11LMNASMN1; SMN2
SCHEMBL7772528 0.79 KIF11 (0.47) KIF11KCNH2LMNAHTTSMN1; SMN2
SCHEMBL8607101 0.76 ALDH1A1 (0.44) KIF11AOC3
SCHEMBL7772513 0.76 TDP1 (0.43) LMNAHTTKMT2AMEN1AOC3
SCHEMBL7764652 0.71 CASR (0.44) KIF11KCNH2LMNAKMT2AMEN1
SCHEMBL7147740 0.70 KIF11 (0.61) KIF11KCNH2LMNAHTTSMN1; SMN2
SCHEMBL28440590 0.70 KIF11 (0.54) KIF11KCNH2LMNAHTTSMN1; SMN2
SCHEMBL28076975 0.70 KIF11 (0.54) KIF11KCNH2LMNAHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed